General Information of the Compound
| Compound ID |
CP0412241
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| Compound Name |
4-[5-chloro-1-(4-methylphenyl)sulfonylindol-2-yl]butanoic acid
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| Structure |
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| Formula |
C19H18ClNO4S
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| Molecular Weight |
391.876
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| Canonical SMILES |
Cc1ccc(cc1)S(=O)(=O)n1c(CCCC(O)=O)cc2cc(Cl)ccc12
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| InChI |
InChI=1S/C19H18ClNO4S/c1-13-5-8-17(9-6-13)26(24,25)21-16(3-2-4-19(22)23)12-14-11-15(20)7-10-18(14)21/h5-12H,2-4H2,1H3,(H,22,23)
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| InChIKey |
FLFDQPVCPTUSNL-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00910, Peroxisome proliferator-activated receptor alpha
Protein ID: PT00909, Peroxisome proliferator-activated receptor delta
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma